2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

C25H18ClN3O2S — CID 4104476

IUPAC2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESO=C(CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O2S/c26-18-12-10-17(11-13-18)22(30)15-32-25-28-20-9-5-4-8-19(20)23-27-21(24(31)29(23)25)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2
InChIKeyQPHHHOGZFGHYKP-UHFFFAOYSA-N
MW459.96 g/mol
LogP5.16
Rot. Bonds5

About 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 4104476) has the molecular formula C25H18ClN3O2S and a molecular weight of 459.96 g/mol. Its IUPAC name is 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID4104476
Molecular FormulaC25H18ClN3O2S
Molecular Weight459.96 g/mol
Exact Mass459.08
IUPAC Name2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESO=C(CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)c1ccc(Cl)cc1
InChIInChI=1S/C25H18ClN3O2S/c26-18-12-10-17(11-13-18)22(30)15-32-25-28-20-9-5-4-8-19(20)23-27-21(24(31)29(23)25)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2
InChIKeyQPHHHOGZFGHYKP-UHFFFAOYSA-N
XLogP5.16
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.96
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (CID 4104476) is 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is O=C(CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)c1ccc(Cl)cc1.
What is the InChIKey of 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is QPHHHOGZFGHYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN3O2S/c26-18-12-10-17(11-13-18)22(30)15-32-25-28-20-9-5-4-8-19(20)23-27-21(24(31)29(23)25)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2.
What are the key properties of 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 459.96 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 4104476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).